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  1. Third-Parties
  2. MatprojStructure
  3. mp-1040450

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1040450
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Li', 'P', 'S', 'Cl']
  • Chemical System: Cl-Li-P-S
  • Density: 1.929199911499117
  • Atomic Density: 0.0526402561448074
  • Unit Cell Volume: 227.9624165769512
  • Molar Volume: 11.44018133846798
  • Full Formula: Li5 P1 S4 Cl2
  • Reduced Formula: Li5P(S2Cl)2
  • Formula Anonymous: AB2C4D5
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -53.02801718
  • Final energy per atom: -4.419001431666667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.